Structure-based protein NMR assignments using native structural ensembles.

  title={Structure-based protein NMR assignments using native structural ensembles.},
  author={Mehmet Serkan Apaydin and Vincent Conitzer and Bruce Randall Donald},
  journal={Journal of biomolecular NMR},
  volume={40 4},
An important step in NMR protein structure determination is the assignment of resonances and NOEs to corresponding nuclei. Structure-based assignment (SBA) uses a model structure ("template") for the target protein to expedite this process. Nuclear vector replacement (NVR) is an SBA framework that combines multiple sources of NMR data (chemical shifts, RDCs, sparse NOEs, amide exchange rates, TOCSY) and has high accuracy when the template is close to the target protein's structure (less than 2… CONTINUE READING


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